Exact Mass: 256.2276
Exact Mass Matches: 256.2276
Found 454 metabolites which its exact mass value is equals to given mass value 256.2276,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Palmitic acid
Palmitic acid, also known as palmitate or hexadecanoic acid, is a member of the class of compounds known as long-chain fatty acids. Long-chain fatty acids are fatty acids with an aliphatic tail that contains between 13 and 21 carbon atoms. Thus, palmitic acid is considered to be a fatty acid lipid molecule. Palmitic acid is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Palmitic acid can be found in a number of food items such as sacred lotus, spinach, shallot, and corn salad, which makes palmitic acid a potential biomarker for the consumption of these food products. Palmitic acid can be found primarily in most biofluids, including feces, sweat, cerebrospinal fluid (CSF), and urine, as well as throughout most human tissues. Palmitic acid exists in all living species, ranging from bacteria to humans. In humans, palmitic acid is involved in several metabolic pathways, some of which include alendronate action pathway, rosuvastatin action pathway, simvastatin action pathway, and cerivastatin action pathway. Palmitic acid is also involved in several metabolic disorders, some of which include hypercholesterolemia, familial lipoprotein lipase deficiency, ethylmalonic encephalopathy, and carnitine palmitoyl transferase deficiency (I). Moreover, palmitic acid is found to be associated with schizophrenia. Palmitic acid is a non-carcinogenic (not listed by IARC) potentially toxic compound. Palmitic acid, or hexadecanoic acid in IUPAC nomenclature, is the most common saturated fatty acid found in animals, plants and microorganisms. Its chemical formula is CH3(CH2)14COOH, and its C:D is 16:0. As its name indicates, it is a major component of the oil from the fruit of oil palms (palm oil). Palmitic acid can also be found in meats, cheeses, butter, and dairy products. Palmitate is the salts and esters of palmitic acid. The palmitate anion is the observed form of palmitic acid at physiologic pH (7.4) . Palmitic acid is the first fatty acid produced during lipogenesis (fatty acid synthesis) and from which longer fatty acids can be produced. Palmitate negatively feeds back on acetyl-CoA carboxylase (ACC) which is responsible for converting acetyl-ACP to malonyl-ACP on the growing acyl chain, thus preventing further palmitate generation (DrugBank). Palmitic acid, or hexadecanoic acid, is one of the most common saturated fatty acids found in animals, plants, and microorganisms. As its name indicates, it is a major component of the oil from the fruit of oil palms (palm oil). Excess carbohydrates in the body are converted to palmitic acid. Palmitic acid is the first fatty acid produced during fatty acid synthesis and is the precursor to longer fatty acids. As a consequence, palmitic acid is a major body component of animals. In humans, one analysis found it to make up 21–30\\\% (molar) of human depot fat (PMID: 13756126), and it is a major, but highly variable, lipid component of human breast milk (PMID: 352132). Palmitic acid is used to produce soaps, cosmetics, and industrial mould release agents. These applications use sodium palmitate, which is commonly obtained by saponification of palm oil. To this end, palm oil, rendered from palm tree (species Elaeis guineensis), is treated with sodium hydroxide (in the form of caustic soda or lye), which causes hydrolysis of the ester groups, yielding glycerol and sodium palmitate. Aluminium salts of palmitic acid and naphthenic acid were combined during World War II to produce napalm. The word "napalm" is derived from the words naphthenic acid and palmitic acid (Wikipedia). Palmitic acid is also used in the determination of water hardness and is a surfactant of Levovist, an intravenous ultrasonic contrast agent. Hexadecanoic acid is a straight-chain, sixteen-carbon, saturated long-chain fatty acid. It has a role as an EC 1.1.1.189 (prostaglandin-E2 9-reductase) inhibitor, a plant metabolite, a Daphnia magna metabolite and an algal metabolite. It is a long-chain fatty acid and a straight-chain saturated fatty acid. It is a conjugate acid of a hexadecanoate. A common saturated fatty acid found in fats and waxes including olive oil, palm oil, and body lipids. Palmitic acid is a metabolite found in or produced by Escherichia coli (strain K12, MG1655). Palmitic Acid is a saturated long-chain fatty acid with a 16-carbon backbone. Palmitic acid is found naturally in palm oil and palm kernel oil, as well as in butter, cheese, milk and meat. Palmitic acid, or hexadecanoic acid is one of the most common saturated fatty acids found in animals and plants, a saturated fatty acid found in fats and waxes including olive oil, palm oil, and body lipids. It occurs in the form of esters (glycerides) in oils and fats of vegetable and animal origin and is usually obtained from palm oil, which is widely distributed in plants. Palmitic acid is used in determination of water hardness and is an active ingredient of *Levovist*TM, used in echo enhancement in sonographic Doppler B-mode imaging and as an ultrasound contrast medium. A common saturated fatty acid found in fats and waxes including olive oil, palm oil, and body lipids. A straight-chain, sixteen-carbon, saturated long-chain fatty acid. Palmitic acid. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=57-10-3 (retrieved 2024-07-01) (CAS RN: 57-10-3). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).
Methyl pentadecanoate
Methyl pentadecanoate is a fatty acid ester obtained by condensation of the carboxy group of pentadecanoic acid with the hydroxy group of methanol. It has a role as a plant metabolite and a bacterial metabolite. It is functionally related to a pentadecanoic acid. Methyl pentadecanoate is a natural product found in Astragalus mongholicus, Aristolochia grandiflora, and Astragalus membranaceus with data available. A fatty acid ester obtained by condensation of the carboxy group of pentadecanoic acid with the hydroxy group of methanol. Methyl pentadecanoate is a fatty acid ester, can be isolated from L. wallichi extracts. Methyl pentadecanoate is obtained by condensation of the carboxy group of pentadecanoic acid with the hydroxy group of methanol[1]. Methyl pentadecanoate is a fatty acid ester, can be isolated from L. wallichi extracts. Methyl pentadecanoate is obtained by condensation of the carboxy group of pentadecanoic acid with the hydroxy group of methanol[1].
Ethyl tetradecanoate
Ethyl tetradecanoate, also known as myristate ethyl ester or ethyl myristate, belongs to the class of organic compounds known as fatty acid esters. These are carboxylic ester derivatives of a fatty acid. Ethyl tetradecanoate is a very hydrophobic molecule, practically insoluble in water, and relatively neutral. Flavouring agent. Ethyl tetradecanoate is found in many foods, some of which are coriander, ginger, sweet marjoram, and guava.
Isopalmitic acid
Isopalmitic acid is found in milk and milk products. Isopalmitic acid occurs in butterfa Occurs in butterfat. Isopalmitic acid is found in milk and milk products.
Trimethyltridecanoic acid
Trimethyltridecanoic acid is the presumed breakdown product of the beta-oxidation of pristanic acid. Trimethyltridecanoic acid is a normal dietary constituent and has been reported to be present in human milk. Whether its apparent accumulation in some patients with peroxisomal disease is secondary to the large increase in pristanic acid concentration in those individuals or whether its presence is indicative of their inability to oxidise this fatty acid is not known. (PMID: 2452737, Eur J Pediatr. 1988 Feb;147(2):143-7.) [HMDB] Trimethyltridecanoic acid is the presumed breakdown product of the beta-oxidation of pristanic acid. Trimethyltridecanoic acid is a normal dietary constituent and has been reported to be present in human milk. Whether its apparent accumulation in some patients with peroxisomal disease is secondary to the large increase in pristanic acid concentration in those individuals or whether its presence is indicative of their inability to oxidise this fatty acid is not known. (PMID: 2452737, Eur J Pediatr. 1988 Feb;147(2):143-7.).
Ipomeatetrahydrofuran
Ipomeatetrahydrofuran is found in potato. Ipomeatetrahydrofuran is isolated from Ipomoea batatas (sweet potato) infected with Ceratocystis fimbriata. Isolated from Ipomoea batatas (sweet potato) infected with Ceratocystis fimbriata. Ipomeatetrahydrofuran is found in root vegetables and potato.
Butyl dodecanoate
Butyl dodecanoate is found in alcoholic beverages. Butyl dodecanoate is present in apple, papaya, cape gooseberry, spineless monkey orange and malt whisky. Butyl dodecanoate is used in fruit flavourin Present in apple, papaya, cape gooseberry, spineless monkey orange and malt whisky. It is used in fruit flavouring. Butyl dodecanoate is found in alcoholic beverages, pomes, and fruits.
9-Decenoylcholine
9-Decenoylcholine is a fatty acid-choline as the ester product of 9-Decenoic acid and cholinel. The pharmacological effects of a series of fatty acid-choline esters have been studied on the isolated rabbit heart, the isolated guinea-pig ileum and the rat stomach. The effect changed with increasing chain length, and three different types of response were observed. The shortchain compounds produced depression of the isolated rabbit heart and spasm of the isolated guinea-pig ileum. Only one, butyrylcholine, had an erratic stimulating effect on hydrochloric acid secretion by the partially vagotomized rat stomach. Medium-chain compounds had a stimulating effect on the isolated rabbit heart, a mixed spasmogenic and relaxant effect on the isolated guinea-pig ileum, and no effect on the rat stomach. Long-chain compounds blocked the effect of acetylcholine on the isolated rabbit heart and the isolated guinea-pig ileum; they also depressed spontaneous hydrochloric acid secretion by the rat stomach. 9-Decenoylcholine is a fatty acid-choline as the ester product of 9-Decenoic acid and cholinel.
Dodecyl butyrate
Dodecyl butyrate is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]") It is used as a food additive .
Hexyl decanoate
Hexyl decanoate is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]") It is used as a food additive .
Dodecyl 2-methylpropanoate
Dodecyl 2-methylpropanoate is a flavouring agent Flavouring agent
Methyl pentadecanoate
Methyl pentadecanoate is a fatty acid ester, can be isolated from L. wallichi extracts. Methyl pentadecanoate is obtained by condensation of the carboxy group of pentadecanoic acid with the hydroxy group of methanol[1]. Methyl pentadecanoate is a fatty acid ester, can be isolated from L. wallichi extracts. Methyl pentadecanoate is obtained by condensation of the carboxy group of pentadecanoic acid with the hydroxy group of methanol[1].
Bakuchiol
Bakuchiol is under investigation in clinical trial NCT03112863 (Comparison of the Cosmetic Effects of Bakuchiol and Retinol). Bakuchiol is a natural product found in Otholobium pubescens, Otholobium glandulosum, and other organisms with data available. See also: Cullen corylifolium fruit (part of). Bakuchiol is a phytoestrogen derived from psoralen seeds and has anti-tumor and other effects. Bakuchiol is a phytoestrogen derived from psoralen seeds and has anti-tumor and other effects.
[1R-[1R*(cis),3S*]]-4-(3-Hydroxy-1,5-dimethylhexyl)-cyclohexanecarboxylic acid
[1S-(1alpha,2alpha,3beta,4abeta,8aalpha)]-Decahydro-1-(hydroxymethyl)-2,5,5,8a-tetramethyl-2,3-naphthalenediol
Pterocarptriol
Palmitic Acid
COVID info from WikiPathways D004791 - Enzyme Inhibitors Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
[1R-[1R*(trans),3S*]]-4-(3-Hydroxy-1,5-dimethylhexyl)-cyclohexanecarboxylic acid
13-methylpentadecanoic acid
A methyl-branched fatty acid that is pentadecanoic acid substituted by a methyl group at position 13.
Bullatantriol
A sesqiterpenoid that is octahydro-1H-indene which is substituted by a 2-hydroxy-2-methylpropyl group at position 1, methyl groups at positions 3a and 7, and hydroxy groups at positions 4 and 7 (the 1R,3aR,4R,7S,7aR stereoisomer). It has been isolated from various Homalomena species.
Methyl pentadecanoate
Methyl pentadecanoate is a fatty acid ester, can be isolated from L. wallichi extracts. Methyl pentadecanoate is obtained by condensation of the carboxy group of pentadecanoic acid with the hydroxy group of methanol[1]. Methyl pentadecanoate is a fatty acid ester, can be isolated from L. wallichi extracts. Methyl pentadecanoate is obtained by condensation of the carboxy group of pentadecanoic acid with the hydroxy group of methanol[1].
METHYL 12-METHYLTETRADECANOATE
A fatty acid methyl ester resulting from the formal condensation of the carboxy group of 12-methyltetradecanoic acid (12-methylmyristic acid) with methanol.
Mucrolidin
Mucrolidin is a eudesmane sesquiterpenoid that is eudesmane carrying three hydroxy substituents at positions 1, 4 and 6. It has a role as a plant metabolite. It is a eudesmane sesquiterpenoid and a triol. Mucrolidin is a natural product found in Tanacetopsis mucronata and Homalomena occulta with data available. A eudesmane sesquiterpenoid that is eudesmane carrying three hydroxy substituents at positions 1, 4 and 6.
14-methylhexadecan-1-ol
A long-chain primary fatty alcohol that is hexadecan-1-ol substituted by a methyl group at position 14.
2-[(1R*,3aR*,5S*,8R*,8aS*)-decahydro-8-hydroxy-3,8-dimethylazulen-5-yl]propane-1,2-diol|xylaranol B
Tetradecyl acetate
Tetradecyl acetate is a sex pheromone produced by Ctenopseustis obliquana females. Tetradecyl acetate can be used to disrupt the mating of pest species[1][2]. Tetradecyl acetate is a sex pheromone produced by Ctenopseustis obliquana females. Tetradecyl acetate can be used to disrupt the mating of pest species[1][2].
1,4-Epoxy-2,10-dihydroxy-7-isopropyl-4-methyl-5E-undecan
(Z)-4-hydroxysmirnovine|hydroxysmirnovine|N-(4-acetamidobutyl) N-((Z)-4-hydroxy-3-methyl-2-butenyl)guanidine
3,4-dihydroxy-beta-bisabolol|rel-(1R,2S,4R)-1-[(1R)-1,5-dimethyl-4-enyl]-1-methylcyclohexane-1,2,4-triol
agripilol B|rel-(1R,2S,4aR,8aR)-decahydro-1,2-bis(hydroxymethyl)-5,5,8a-trimethylnaphthalen-2-ol
6beta,7beta(H)-cadinane-1alpha,4alpha,10alpha-triol
1beta,7alpha(H)-cadinane-4alpha,6alpha,10alpha-triol
(rel 1S,3R,4R,7R)-3-[3,4-dihydroxy-4-methylpentyl]-1,3,7-trimethyl-2-oxabicyclo[2,2,1]heptane|trichoderiol B
2-(3-hydroxy-3-methylpent-4-en-1-yl)-1,3,3-trimethylcyclohexane-1,4-diol|3,7,10-trihydroxy-6,11-cyclofarnes-1-ene
(1beta,4beta,6alpha)-4a,8a-trans-decahydro-1,4a-dimethyl-6-(1-methylethyl)naphthalene-1,4,11-triol|(1beta,4beta,6alpha)-gorgonane-1,4,11-triol|(1R,4S,4aS,8R,8aS)-decahydro-8-(1-hydroxy-1-methylethyl)-1,4a-dimethylnaphthalene-1,4-diol
(1R,3S,4aS,5R,8aS)-decahydro-3-(1-hydroxy-1-methylethyl)-1,5-dimethylnaphthalene-1,5-diol|(4alpha,7beta,9alpha)-4a,8a-cis-decahydro-1,5-dimethyl-3-(1-methylethyl)naphthalene-4,9,11-triol|(4alpha,7beta,9alpha)-farfugane-4,9,11-triol
rel-(3S,6R,7S)-3,7,11-trimethyl-3,6-epoxy-1-dodecen-7,11-diol
2,4b-Dimethyl-8-methylene-2-vinyl-1,2,3,4,4a,4b,5,6,7,8,8a,9-dodecahydrophenanthrene #
3-Methyl-5-(2,2,6-trimethyl-6-hydroxycyclohexyl)pentanoic acid
3,5,9-trimethyl-2-oxiranyl-dec-8-ene-2,5-diol|viridenepoxydiol
Hexahydro-7-(1-hydroxy-1-methylethyl)-1,4-dimethylazulene-3a,8a(3H,8H)-diol
2-Hexyldecanoic acid
CONFIDENCE standard compound; INTERNAL_ID 917; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6126; ORIGINAL_PRECURSOR_SCAN_NO 6124 CONFIDENCE standard compound; INTERNAL_ID 917; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6150; ORIGINAL_PRECURSOR_SCAN_NO 6147 CONFIDENCE standard compound; INTERNAL_ID 917; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6164; ORIGINAL_PRECURSOR_SCAN_NO 6163 CONFIDENCE standard compound; INTERNAL_ID 917; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6150; ORIGINAL_PRECURSOR_SCAN_NO 6149
1-Heptadecanol
Heptadecan-1-ol is a long-chain fatty alcohol that is heptadecane in which one of the terminal methyl hydrogens is replaced by a hydroxy group. It has a role as a plant metabolite. It is a long-chain primary fatty alcohol and a primary alcohol. 1-Heptadecanol is a natural product found in Euphorbia piscatoria, Phyllanthus emblica, and other organisms with data available. A long-chain primary fatty alcohol that is heptadecane in which one of the terminal methyl hydrogens is replaced by a hydroxy group. 1-heptadecanol, also known as 1-hydroxyheptadecane or heptadecyl alcohol, is a member of the class of compounds known as long-chain fatty alcohols. Long-chain fatty alcohols are fatty alcohols that have an aliphatic tail of 13 to 21 carbon atoms. 1-heptadecanol is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). 1-heptadecanol can be found in black elderberry and potato, which makes 1-heptadecanol a potential biomarker for the consumption of these food products. 1-Heptadecanol is a long-chain primary alcohol with antibacterial activity from Solena amplexicaulis leaves[1]. 1-Heptadecanol is a long-chain primary alcohol with antibacterial activity from Solena amplexicaulis leaves[1].
C15H28O3_1,2-Cyclohexanediol, 4-[(3E)-5-hydroxy-1,5-dimethyl-3-hexen-1-yl]-1-methyl
(6E)-2,6,10-trimethyldodeca-6,11-diene-2,3,10-triol
(6E)-2,6,10-trimethyldodeca-6,11-diene-2,3,10-triol_49.3\\%
(6E)-2,6,10-trimethyldodeca-6,11-diene-2,3,10-triol_major
Lyngbic acid
A natural product found in Oscillatoria species and Hormoscilla spp..
4,8,12-Trimethyltridecanoic acid
A methyl-branched fatty acid consisting of tridecanoic acid having methyl substituents at positions 4, 8 and 12.
2-hydroxyhexadecanal
A hydroxy fatty aldehyde that is hexadecanal in which one of the hydrogens at position 2 has been replaced by a hydroxy group.
Ipomeatetrahydrofuran
Heptadecan-2-ol
A secondary fatty alcohol that is heptadecane substituted by a hydroxy group at position 2.
SFE 16:0
Tetradecyl acetate is a sex pheromone produced by Ctenopseustis obliquana females. Tetradecyl acetate can be used to disrupt the mating of pest species[1][2]. Tetradecyl acetate is a sex pheromone produced by Ctenopseustis obliquana females. Tetradecyl acetate can be used to disrupt the mating of pest species[1][2].
tert-Butyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propanoate
tert-butyl 1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate
Palmitic acid-16,16,16-d3
COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
2-(3-Hydroxyazetidin-3-yl)piperidine-1-carboxylic acid tert-butyl ester
(S)-tert-Butyl 2-(tert-butyl)-3-methyl-4-oxoimidazolidine-1-carboxylate
2-CHLOROMETHYL-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
tert-butyl 4-(2-methylpropanoyl)piperazine-1-carboxylate
ethyl 3-(4-hydroxypiperidin-1-yl)-3-methylpyrrolidine-1-carboxylate
tert-Butyl 4-[acetyl(Methyl)amino]piperidine-1-carboxylate
1H-PYRROLO[2,3-B]PYRIDINE-3-CARBOXYLIC ACID, 5-BROMO-1-(PHENYLSULFONYL)-
2-methylbut-2-ene,(3E)-penta-1,3-diene,prop-1-en-2-ylbenzene
(R)-(+)-1-BOC-2-TERT-BUTYL-3-METHYL-4-IMIDAZOLIDINONE
tert-butyl 3-amino-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
3-Morpholin-4-yl-pyrrolidine-1-carboxylic acid tert-butyl ester
tert-butyl 4-(isobutylamino)piperidine-1-carboxylate
tert-Butyl 4-oxa-1,9-diazaspiro[5.5]undecane-9-carboxylate
1,4-diazabicyclo[2.2.2]octane,2-ethylhexanoic acid
1,4,8,11-tetramethyl-1,4,8,11-tetraazacyclotetradecane
2-(3,3-diethoxyprop-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
tert-butyl 1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxylate
17-Deoxyestradiol
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
15-Methylhexadecan-1-ol
A long-chain fatty alcohol that is hexadecan-1-ol bearing a methyl substituent at position 15.
1,4a-Dimethyl-7-(propan-2-yl)-1,2,3,4,4a,9,10,10a-octahydrophenanthrene
2-(8-Tert-butyl-3-methyl-1,2-dioxaspiro[4.5]decan-3-yl)ethanol
AI3-36452
Methyl pentadecanoate is a fatty acid ester, can be isolated from L. wallichi extracts. Methyl pentadecanoate is obtained by condensation of the carboxy group of pentadecanoic acid with the hydroxy group of methanol[1]. Methyl pentadecanoate is a fatty acid ester, can be isolated from L. wallichi extracts. Methyl pentadecanoate is obtained by condensation of the carboxy group of pentadecanoic acid with the hydroxy group of methanol[1].
AI3-11586
Tetradecyl acetate is a sex pheromone produced by Ctenopseustis obliquana females. Tetradecyl acetate can be used to disrupt the mating of pest species[1][2]. Tetradecyl acetate is a sex pheromone produced by Ctenopseustis obliquana females. Tetradecyl acetate can be used to disrupt the mating of pest species[1][2].
(E)-N,N-Bis[3-(ethylamino)propyl]-2-butene-1,4-diamine
12-Methylpentadecanoic acid
A methyl-branched fatty acid that is pentadecanoic acid substituted by a methyl group at position 12.
(2E)-15-hydroxypentadec-2-enoic acid
An omega-hydroxy fatty acid that is trans-2-pentadecenoic acid in which one of the hydrogens of the terminal methyl group has been replaced by a hydroxy group.
N-[(2R,3R,6S)-6-(2-aminoethyl)-2-(hydroxymethyl)-3-oxanyl]cyclobutanecarboxamide
N-[(2S,3R,6S)-6-(2-aminoethyl)-2-(hydroxymethyl)-3-oxanyl]cyclobutanecarboxamide
N-[(2S,3S,6R)-6-(2-aminoethyl)-2-(hydroxymethyl)-3-oxanyl]cyclobutanecarboxamide
N-[(2S,3R,6R)-6-(2-aminoethyl)-2-(hydroxymethyl)-3-oxanyl]cyclobutanecarboxamide
(2E,14R)-14-hydroxypentadec-2-enoic acid
An (omega-1)-hydroxy fatty acid that is trans-2-pentadecenoic acid in which the 14-pro-R hydrogen is replaced by a hydroxy group.
2,2,6,6-Tetramethyl-5-((trimethylsilyl)oxy)hept-4-en-3-one
1-Trideuteromethyl-4-(5-methoxycarbonylhexanoyl)piperazine
2-Methyl-6-oxo-6-(4-methylpiperazino)hexanoic acid methyl ester
14-Methylpentadecanoic acid
A methyl-branched fatty acid that is pentadecanoic acid substituted by a methyl group at position 14. It is a biomarker for rheumatoid arthritis.
heptadecan-9-ol
A secondary fatty alcohol that is heptadecane substituted by a hydroxy group at position 9.
1beta,4beta,7alpha-Trihydroxyeudesmane
A eudesmane sesquiterpenoid that is eudesmane carrying three hydroxy substituents at positions 1, 4 and 7.
heptadecan-3-ol
A secondary fatty alcohol that is heptadecane substituted by a hydroxy group at position 3.
10,13-dimethyltetradecanoic acid
A branched-chain saturated fatty acid comprising tetradecanoic acid carrying a methyl substituent at positions 10 and 13. It is a marine metabolite isolated from the Caribbean Sponges Calyx podatypa and Agelas dispar.
N-dodecanoylglycinate
An N-acylglycinate that is the conjugate base of N-dodecanoylglycine, obtained by deprotonation of the carboxy group; major species at pH 7.3.
4-[(1r,2s,5r)-5-ethenyl-5-methyl-2-(prop-1-en-2-yl)cyclohexyl]phenol
6-(hydroxymethyl)-1-isopropyl-3a-methyl-octahydroazulene-1,2-diol
(1r,2s,3as,8ar)-6-(hydroxymethyl)-1-isopropyl-3a-methyl-octahydroazulene-1,2-diol
4-[5-ethenyl-5-methyl-2-(prop-1-en-2-yl)cyclohexyl]phenol
(1s,4s,4as,5r,6s,8as)-6-isopropyl-4,8a-dimethyl-octahydronaphthalene-1,4,5-triol
(1s,2s,3s,4as,8as)-1-(hydroxymethyl)-2,5,5,8a-tetramethyl-hexahydro-1h-naphthalene-2,3-diol
(1r,2s,3r)-3-[(2r,5r)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-1,2-dimethylcyclopentan-1-ol
(9s)-6-(hydroxymethyl)-9-(2-hydroxypropan-2-yl)-2-methylidenecyclodecan-1-ol
(1s,4r)-1-methyl-4-[(2s)-6-methylhept-5-en-2-yl]-1,2,3,4-tetrahydronaphthalene
(1r,4s,4as,5r,6s,8ar)-6-isopropyl-4,8a-dimethyl-octahydronaphthalene-1,4,5-triol
1-(2-hydroxy-2-methylpropyl)-3a,7-dimethyl-hexahydro-1h-indene-4,7-diol
(3r)-6-[(1r,2s,3r)-3-hydroxy-2,3-dimethylcyclopentyl]-2-methylhept-6-ene-2,3-diol
1-methyl-4-(6-methylhept-5-en-2-yl)cyclohexane-1,2,4-triol
(1s,2s,4as,5s,8r,8ar)-2-(2-hydroxypropan-2-yl)-4a,8-dimethyl-octahydro-1h-naphthalene-1,5-diol
(1r,4s,4as,6s,8s,8ar)-4-isopropyl-1,6-dimethyl-octahydronaphthalene-1,8,8a-triol
7-isopropyl-1,4a-dimethyl-hexahydro-2h-naphthalene-1,6,7-triol
2-[(1-hydroxyethylidene)amino]-4-methyl-n-(3-methyl-1-oxobutan-2-yl)pentanimidic acid
13-hydroxyisobakuchiol
{"Ingredient_id": "HBIN001248","Ingredient_name": "13-hydroxyisobakuchiol","Alias": "NA","Ingredient_formula": "C18H24O","Ingredient_Smile": "CC(=CCCC(C)(C=C)C=CC1=CC=C(C=C1)O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "37906","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
2n-hexadecanoic acid
{"Ingredient_id": "HBIN006119","Ingredient_name": "2n-hexadecanoic acid","Alias": "NA","Ingredient_formula": "C16H32O2","Ingredient_Smile": "CCCCCCCCCCCCCCCC(=O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "33863","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
backuchiol
{"Ingredient_id": "HBIN017489","Ingredient_name": "backuchiol","Alias": "NA","Ingredient_formula": "C18H24O","Ingredient_Smile": "CC(=CCCC(C)(C=C)C=CC1=CC=C(C=C1)O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "2081","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
